SCHEMBL7661532

SCHEMBL7661532

COC(=O)CC(O)c1ccc(C=CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ THRB P10828 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA7 P43166 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ CA14 Q9ULX7 3/20 0.45
▸ HCAR2 Q8TDS4 2/20 0.45
▸ CA3 P07451 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ CA4 P22748 2/20 0.45
▸ CA6 P23280 2/20 0.45
▸ CA5A P35218 2/20 0.45
▸ CA5B Q9Y2D0 2/20 0.45
▸ TYR P14679 2/20 0.45
▸ AKR1B10 O60218 1/20 0.45
▸ ESR1 P03372 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7661530 1.00 KDM4E (0.55) KDM4EMAPK1THRBATMCA12
SCHEMBL22076567 0.81 ALDH1A1 (0.47) TYRSTAT3ALDH1A1RAB9A
SCHEMBL6862384 0.77 KCNA5 (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL3978916 0.77 KCNA5 (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL6910158 0.77 KCNA5 (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL10903828 0.77 KDM4E (0.60) KDM4EMAPK1THRBATMCA12
SCHEMBL4486192 0.76 TAAR1 (0.52) KDM4ECA12CA1CA2CA7
SCHEMBL28827835 0.76 MAPT (0.47) STAT3SMN1; SMN2ALDH1A1ACHERAB9A
SCHEMBL14042112 0.76 TAAR1 (0.52) KDM4ECA12CA1CA2CA7
SCHEMBL4484678 0.76 TAAR1 (0.52) KDM4ECA12CA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413995-B1 IMMUNOMODULATORS TSUMURA & CO. (JP) 2002-07-02 — — US disclosed
EP-1142875-A1 CINNAMAMIDE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME TSUMURA & CO. (JP) 2001-10-10 — — EP disclosed
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